NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5102 8.1749 117.3729 63.6904 70.1620 172.9299 2 T 4.6021 9.1085 121.4586 60.0462 72.0348 171.4790 3 I 5.1279 9.2417 120.7283 59.3725 41.3505 174.5577 4 V 4.6497 8.9025 116.6278 59.9889 36.6722 174.2690 5 G 4.5515 8.5276 108.1186 44.7220 0.0000 172.3180 6 V 4.5948 9.2586 123.7671 61.0567 34.8966 174.4736 7 K 4.8297 8.8506 127.5948 55.9027 33.2649 176.0920 8 F 5.1021 8.2722 117.7378 54.5019 41.2035 175.6012 9 N 4.1880 8.9211 118.4731 55.7950 36.9181 174.8701 10 N 4.9644 8.2183 115.2034 51.8914 40.6390 174.5559 11 G 3.5317 6.2535 104.3892 45.3633 0.0000 172.5588 12 V 5.0487 7.7803 119.8737 60.3889 34.5376 174.6293 13 V 4.7812 9.2592 122.3832 59.9717 34.6183 174.3823 14 I 5.2024 8.3942 115.1176 59.4619 40.8149 173.8846 15 A 4.8448 8.8004 123.8275 51.2289 23.1593 174.5601 16 A 5.0226 8.1465 118.6542 51.2417 22.1684 176.0289 17 D 4.7537 8.4570 120.4363 52.6232 41.6790 176.3051 18 T 4.7473 8.2171 105.3840 61.4674 70.2610 172.9781 19 R 4.7753 8.4682 122.5441 55.9622 31.4397 175.4595 20 S 4.8762 9.0302 120.8558 56.6508 65.0378 172.7369 21 T 5.1273 8.6455 116.3841 60.1602 72.0932 174.0361 22 Q 4.2978 8.9950 122.0762 53.5174 30.4793 176.6320 23 G 3.8717 8.6656 117.2574 46.3424 0.0000 170.9612 24 P 4.5967 0.0000 0.0000 62.5496 31.9049 175.4683 25 I 4.2360 7.4881 121.0663 59.8131 38.5441 175.2529 26 V 4.2843 8.2091 124.6356 61.9032 30.8640 175.4374 27 A 4.1396 8.5920 132.1082 54.3662 18.7236 177.3401 28 D 4.6821 7.7342 114.8643 52.7164 43.7582 175.6619 29 K 4.2975 8.7344 125.1126 57.7205 33.0817 176.3878 30 N 5.2223 8.4821 118.6953 52.4536 37.8469 173.2363 31 C 4.6372 8.5112 114.3562 58.0278 31.8432 174.0211 32 A 4.6916 8.4185 120.6841 50.4649 19.9840 176.4606 33 K 4.2458 8.7813 121.0661 57.1892 33.8135 176.3188 34 L 5.0080 7.7875 121.0601 54.0531 42.4686 175.7212 35 H 5.0226 9.9778 122.3098 53.9167 32.3548 173.0512 36 R 3.4759 7.9042 120.8717 54.8273 30.6431 175.8220 37 I 3.9486 8.4202 128.1302 62.9698 38.1148 175.6480 38 S 4.5992 7.2092 112.1000 55.7843 66.2039 172.5216 39 P 4.3460 0.0000 0.0000 65.4137 31.1334 177.9271 40 K 4.7409 8.1533 114.9274 55.9477 32.7799 175.2133 41 I 5.0762 7.9693 120.0339 59.7527 40.0837 174.6059 42 W 5.0820 9.1752 127.1602 54.9927 32.3890 174.8526 43 C 5.3957 9.8426 122.0417 57.7341 34.8736 172.3062 44 A 5.3402 9.2967 127.5723 50.1787 21.0120 175.6544 45 G 4.5686 8.8817 109.5209 44.3587 0.0000 172.2179 46 A 4.8395 9.5885 124.5552 49.8083 22.9378 175.3442 47 G 4.1223 8.9900 103.3608 44.8039 0.0000 176.0342 48 T 4.0934 9.4213 123.8603 62.7894 68.3921 174.8450 49 A 4.0187 9.0159 129.5156 55.5356 18.2912 178.9463 50 A 3.9853 8.0028 118.3021 55.2048 18.3593 179.5600 51 D 4.2455 7.8951 117.3569 57.7110 41.2519 178.8321 52 T 3.8767 8.0121 110.3611 64.7084 68.6802 176.2010 53 E 3.6298 8.2053 121.9173 58.8749 29.7316 178.6573 54 A 3.9408 8.0671 121.1537 55.0964 18.5514 180.0424 55 V 3.5357 8.1300 118.1826 65.1708 31.5932 178.8485 56 T 3.8417 7.7284 116.1261 66.4421 68.1656 176.7623 57 Q 3.9784 7.9892 119.9697 58.3285 28.7678 178.2897 58 L 3.8596 7.9174 121.4788 58.3788 42.2245 179.1871 59 I 3.7992 7.6677 119.6196 64.1235 36.9522 178.6842 60 G 3.5505 7.9351 106.5299 47.7289 0.0000 175.6936 61 S 4.0592 8.2422 115.7545 61.3556 62.3997 176.1251 62 N 4.3966 8.2018 119.0854 56.1808 38.1102 177.5976 63 I 3.6936 8.3833 121.8242 64.1287 37.1359 177.9952 64 E 3.9106 8.3003 120.1837 59.4274 29.5553 178.8915 65 L 4.0216 8.0004 118.9489 58.0668 41.5350 179.0952 66 H 4.1813 8.5319 118.6216 59.1273 29.7876 177.2916 67 S 4.2072 8.4377 115.2889 61.4815 62.0387 176.1876 68 L 4.0235 7.9095 120.5461 57.9562 41.4169 178.6003 69 Y 4.0931 8.0694 118.9299 60.2782 38.2560 177.0584 70 T 4.3240 8.4635 109.0788 60.9697 69.2182 175.3108 71 S 3.9597 7.9843 116.5749 59.6976 61.0573 171.8130 72 R 4.7774 7.2106 117.3229 53.9305 33.5324 175.4626 73 E 4.1983 8.5146 119.1743 55.5799 30.1515 175.6209 74 P 4.4516 0.0000 0.0000 62.6919 32.4031 176.0636 75 R 4.8148 8.1624 120.1815 54.3679 32.5586 177.6562 76 V 3.6282 8.9183 121.1407 66.3019 31.5067 179.1149 77 V 3.6714 7.7753 111.3910 63.9505 31.3043 178.6603 78 S 4.0670 7.9169 115.1218 61.4717 62.8206 176.3259 79 A 3.9612 7.9264 122.9647 54.9507 18.0269 179.3147 80 L 3.8896 8.1112 119.0120 58.3688 42.2258 179.0369 81 Q 3.9271 8.0854 119.5586 59.4840 28.8653 178.0899 82 M 4.1082 8.2454 119.8616 58.1090 31.8684 178.8538 83 L 4.0275 8.0768 119.4818 57.6711 41.8437 179.6397 84 K 4.0258 8.2635 118.9926 60.2410 32.4535 179.2293 85 Q 4.1439 8.1874 119.1256 58.4926 28.3265 178.2105 86 H 4.2874 7.8668 119.0704 59.3693 30.0303 177.0333 87 L 4.1791 8.3581 121.2161 57.6164 41.3951 179.2697 88 F 4.0193 8.7254 121.1673 61.1717 39.1385 176.9143 89 K 3.7959 7.7868 117.6731 59.4788 32.0747 177.1684 90 Y 4.2596 7.6178 114.9504 56.6634 37.8674 175.6010 91 Q 2.9212 7.7327 117.9832 56.7826 25.8797 175.9072 *93 G 4.1092 7.8122 104.5205 45.4222 0.0000 175.1450 94 H 4.2946 8.5827 117.0179 57.6908 28.8603 175.4989 95 I 4.1845 6.9205 118.2183 59.6536 37.0198 176.9391 96 G 4.0644 8.9864 118.7158 45.7717 0.0000 171.2429 97 A 5.1148 7.3688 119.7643 50.3639 21.8170 177.1843 98 Y 4.5354 8.9277 120.3438 56.2481 40.8590 174.9337 99 L 5.3843 8.6904 123.2551 52.8955 46.1424 176.4908 100 I 4.5448 8.8565 122.4362 59.7751 39.5792 174.7539 101 V 4.8846 8.4455 126.9641 60.0081 33.1307 175.0873 102 A 4.8034 9.7366 125.5589 49.5216 23.3182 175.1090 103 G 4.3278 7.6412 108.6808 45.8521 0.0000 172.0966 104 V 4.5559 7.9254 112.7048 59.5517 34.5342 176.1453 105 D 4.2712 8.3939 121.1460 53.8992 39.0082 175.0407 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.17 4.51 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 2 T 9.11 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 I 9.24 5.13 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.94 0.00 0.00 4 V 8.90 4.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 5 G 8.53 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.26 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 7 K 8.85 4.83 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.27 5.10 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.92 4.19 0.00 2.89 3.10 0.00 0.00 5.73 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.22 4.96 0.00 2.71 2.93 0.00 0.00 6.80 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 6.25 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.78 5.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.01 0.00 0.00 13 V 9.26 4.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 14 I 8.39 5.20 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.80 4.84 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.15 5.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.46 4.75 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.22 4.75 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 19 R 8.47 4.78 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.03 4.88 0.00 3.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.65 5.13 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 9.00 4.30 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 23 G 8.67 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.60 0.00 2.18 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 25 I 7.49 4.24 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 0.91 0.00 0.00 26 V 8.21 4.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.59 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.73 4.68 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.73 4.30 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.48 5.22 0.00 2.66 2.69 0.00 0.00 7.17 8.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.51 4.64 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.42 4.69 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.78 4.25 0.00 1.73 2.00 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.79 5.01 0.00 1.60 1.87 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.98 5.02 0.00 2.89 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.90 3.48 0.00 0.67 1.13 0.00 3.08 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.51 0.00 37 I 8.42 3.95 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.85 0.00 0.00 38 S 7.21 4.60 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.35 0.00 2.12 2.27 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 8.15 4.74 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 7.97 5.08 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 1.00 0.00 0.00 42 W 9.18 5.08 0.00 3.30 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 9.84 5.40 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.30 5.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.88 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.59 4.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.42 4.09 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 49 A 9.02 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.00 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.90 4.25 0.00 2.94 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 3.88 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 E 8.21 3.63 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 54 A 8.07 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.13 3.54 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 56 T 7.73 3.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 57 Q 7.99 3.98 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 58 L 7.92 3.86 0.00 1.78 1.67 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.67 3.80 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.37 0.87 0.00 0.00 60 G 7.94 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.24 4.06 0.00 3.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.20 4.40 0.00 2.75 2.82 0.00 0.00 7.10 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.38 3.69 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.90 0.00 0.00 64 E 8.30 3.91 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 65 L 8.00 4.02 0.00 1.90 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.53 4.18 0.00 3.24 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.44 4.21 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.91 4.02 0.00 1.93 1.76 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.07 4.09 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.46 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 S 7.98 3.96 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.21 4.78 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 73 E 8.51 4.20 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 74 P 0.00 4.45 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 75 R 8.16 4.81 0.00 1.86 1.82 0.00 3.14 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.92 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.04 0.00 0.00 77 V 7.78 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 78 S 7.92 4.07 0.00 4.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.93 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.11 3.89 0.00 1.90 1.85 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.09 3.93 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.25 4.11 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 83 L 8.08 4.03 0.00 1.89 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.26 4.03 0.00 2.00 2.15 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.54 7.81 85 Q 8.19 4.14 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 86 H 7.87 4.29 0.00 3.23 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.36 4.18 0.00 1.75 1.69 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.73 4.02 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.79 3.80 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.84 1.27 7.81 90 Y 7.62 4.26 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.73 2.92 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 *93 G 7.81 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.58 4.29 0.00 3.32 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.92 4.18 1.78 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.27 0.86 0.00 0.00 96 G 8.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.37 5.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.93 4.54 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.69 5.38 0.00 1.51 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.86 4.54 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.96 0.00 0.00 101 V 8.45 4.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.74 4.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.64 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.93 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.39 4.27 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.